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	hartrees
Energy at 0K	-421.667900
Energy at 298.15K	-421.675486
HF Energy	-421.667900
Nuclear repulsion energy	109.975326

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3116	3116	22.28
2	A'	3109	3109	38.91
3	A'	3004	3004	25.52
4	A'	2172	2172	169.91
5	A'	1500	1500	7.66
6	A'	1499	1499	13.46
7	A'	1349	1349	0.74
8	A'	1016	1016	31.66
9	A'	984	984	42.56
10	A'	715	715	2.70
11	A'	601	601	1.00
12	A'	243	243	0.09
13	A'	171	171	0.19
14	A"	3116	3116	9.25
15	A"	3109	3109	3.86
16	A"	3006	3006	27.95
17	A"	1490	1490	14.00
18	A"	1488	1488	0.41
19	A"	1331	1331	0.79
20	A"	1008	1008	23.23
21	A"	860	860	0.91
22	A"	732	732	0.09
23	A"	650	650	7.69
24	A"	157	157	0.03

Atom	x (Å)	y (Å)	z (Å)
P1	-0.040	-0.702	0.000
H2	1.404	-0.939	0.000
C3	-0.040	0.559	1.460
C4	-0.040	0.559	-1.460
H5	-1.041	1.002	1.533
H6	-1.041	1.002	-1.533
H7	0.175	0.023	2.393
H8	0.175	0.023	-2.393
H9	0.701	1.356	1.314
H10	0.701	1.356	-1.314

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4630	1.9292	1.9292	2.5014	2.5014	2.5102	2.5102	2.5513	2.5513
H2	1.4630		2.5417	2.5417	3.4781	3.4781	2.8575	2.8575	2.7358	2.7358
C3	1.9292	2.5417		2.9203	1.0976	3.1871	1.0973	3.8966	1.0980	2.9797
C4	1.9292	2.5417	2.9203		3.1871	1.0976	3.8966	1.0973	2.9797	1.0980
H5	2.5014	3.4781	1.0976	3.1871		3.0656	1.7827	4.2253	1.7916	3.3563
H6	2.5014	3.4781	3.1871	1.0976	3.0656		4.2253	1.7827	3.3563	1.7916
H7	2.5102	2.8575	1.0973	3.8966	1.7827	4.2253		4.7870	1.7939	3.9744
H8	2.5102	2.8575	3.8966	1.0973	4.2253	1.7827	4.7870		3.9744	1.7939
H9	2.5513	2.7358	1.0980	2.9797	1.7916	3.3563	1.7939	3.9744		2.6274
H10	2.5513	2.7358	2.9797	1.0980	3.3563	1.7916	3.9744	1.7939	2.6274

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.308	P1	C3	H7	108.951
P1	C3	H9	111.918	P1	C4	H6	108.308
P1	C4	H8	108.951	P1	C4	H10	111.918
H2	P1	C3	96.080	H2	P1	C4	96.080
C3	P1	C4	98.375	H5	C3	H7	108.625
H5	C3	H9	109.373	H6	C4	H8	108.625
H6	C4	H10	109.373	H7	C3	H9	109.600
H8	C4	H10	109.600

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B97D3/6-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	P	0.338
2	H	-0.025
3	C	-0.664
4	C	-0.664
5	H	0.170
6	H	0.170
7	H	0.172
8	H	0.172
9	H	0.165
10	H	0.165

	x	y	z	Total
	0.563	1.435	0.000	1.541
CHELPG
AIM
ESP

	x	y	z
x	5.929	-0.405	0.000
y	-0.405	6.318	0.000
z	0.000	0.000	7.540

<r²>	85.898
(<r²>)^1/2	9.268

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: B97D3/6-31G

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)